| Properties | Image | with InChI numbering | Occurences in reactions |
|---|
| MNX_ID | MNXM5062 |
 |
 |
| #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 3 |
| in models (compartimentalized) |
1 |
|
| formula | C30H52O2 |
| charge | 0 |
| mass | 444.744 |
| reference | chebi:62417 |
| InChIKey | KCSCTOANDBOIGV-ZFAZNOKVSA-N |
| InChI | InChI=1S/C30H52O2/c1-21(2)11-9-12-22(3)13-10-18-30(8,32)25-15-14-24-28(6)20-17-26(31)27(4,5)23(28)16-19-29(24,25)7/h11,13,23-26,31-32H,9-10,12,14-20H2,1-8H3/b22-13+/t23-,24+,25+,26-,28-,29+,30+/m0/s1 |
| SMILES | [CH3:1][C:21]([CH3:2])=[CH:11][CH2:9][CH2:12]/[C:22]([CH3:3])=[CH:13]/[CH2:10][CH2:18][C@:30]([CH3:8])([C@@H:25]1[CH2:15][CH2:14][C@@H:24]2[C@@:28]3([CH3:6])[CH2:20][CH2:17][C@H:26]([OH:31])[C:27]([CH3:4])([CH3:5])[C@@H:23]3[CH2:16][CH2:19][C@:29]21[CH3:7])[OH:32] |
|
| Parent-child relations graph |
Deprecated MNXref IDs graph |
Similar chemical compounds in external resources
| Identifier | Description |
|---|
CHEBI:62417
chebi:62417
| arabidiol
(13R)-malabarica-17,21-diene-3beta,14-diol
(3R,3aR,5aR,7S,9aR,9bR)-3-[(2R,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-3a,6,6,9a-tetramethyldodecahydro-1H-cyclopenta[a]naphthalen-7-ol
|
seed.compound:cpd21071
seedM:cpd21071
| Arabidiol
(13R, 14R, 17E)-malabarica-17,21-diene-3beta,14-diol
(13R,14R,17E)-Malabarica-17,21-diene-3beta,14-diol
arabidiol
|
kegg.compound:C19828
keggC:C19828
| Arabidiol
(13R,14R,17E)-Malabarica-17,21-diene-3beta,14-diol
|
metacyc.compound:CPD-10307
metacycM:CPD-10307
| arabidiol
(13R, 14R, 17E)-malabarica-17,21-diene-3beta,14-diol
|
keggC:M_C19828
seedM:M_cpd21071
| secondary/obsolete/fantasy identifier
|
